phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

C19H17N3O — CID 155519291

IUPACphenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H17N3O/c23-19(16-9-5-2-6-10-16)21-11-12-22-17(14-21)13-18(20-22)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyQBIPJEOESUZIMF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.21
Rot. Bonds2

About phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone

phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 155519291) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID155519291
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Namephenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3ccccc3)cc2C1
InChIInChI=1S/C19H17N3O/c23-19(16-9-5-2-6-10-16)21-11-12-22-17(14-21)13-18(20-22)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyQBIPJEOESUZIMF-UHFFFAOYSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Brl 43694A
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1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 155519291) is phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is O=C(c1ccccc1)N1CCn2nc(-c3ccccc3)cc2C1.
What is the InChIKey of phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is QBIPJEOESUZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(16-9-5-2-6-10-16)21-11-12-22-17(14-21)13-18(20-22)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2.
What are the key properties of phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 155519291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).